SCHEMBL564925

SCHEMBL564925

CCOC(=O)/C(=C/N(C)C)n1ccnc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
KDM4E B2RXH2 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MITF O75030 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP2C9 P11712 2/20 0.41
CYP24A1 Q07973 1/20 0.36
HSP90AA1 P07900 1/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 1/20 0.34
TBXAS1 P24557 4/20 0.34
AHR P35869 1/20 0.33
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP1A2 P05177 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4814945 1.00 MAPT (0.45) MAPTKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL564926 1.00 MAPT (0.45) MAPTKDM4ESMN1; SMN2MEN1KMT2A
Trimethylammonium SCHEMBL9135732 0.77 KDM4E (0.40) MAPTKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL2218227 0.77 MAPT (0.46) MAPTKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL3702885 0.76 CYP2C9 (0.40) MAPTKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL16589233 0.76 CYP2C9 (0.45) MAPTKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL16109554 0.75 CYP2C9 (0.42) MAPTKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL16109553 0.75 CYP2C9 (0.42) MAPTKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL11036594 0.75 CYP24A1 (0.56) MAPTSMN1; SMN2MITFALDH1A1CYP24A1
SCHEMBL11036593 0.75 CYP24A1 (0.56) MAPTSMN1; SMN2MITFALDH1A1CYP24A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160229858-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-08-11 US disclosed
US-9168249-B2 Substituted dihydropyrazolones for treating cardiovascular and hematological diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-10-27 US disclosed
US-20150148381-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-05-28 US disclosed
US-8987261-B2 Substituted dihydropyrazolones for treating cardiovascular and hematological diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
US-8653111-B2 Substituted dihydropyrazolones for treating cardiovascular and hematological diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-18 US disclosed
US-20140038938-A1 Substituted dihydropyrazolones and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-06 US disclosed
US-20140031329-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-30 US disclosed
US-8580778-B2 Substituted dihydropyrazolones and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-12 US disclosed
US-8389520-B2 Substituted dihydropyrazolones for treating cardiovascular and hematological diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-05 US disclosed
US-20120121727-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-17 US disclosed
US-20120035151-A1 SUBSTITUTED DIHYDROPYRAZOLONES AND THEIR USE BAYER HARMA AKTIENGESELLSCHAFT (DE) 2012-02-09 US disclosed
US-8067407-B2 Substituted dihydropyrazolones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-29 US disclosed
US-20100305085-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 US disclosed
US-20090269420-A1 SUBSTITUTED DIHYDROPYRAZOLONES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140031329-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES THPO, PFKP, DCK MAPT 4854/4885KDM4E 973/4885SMN1; SMN2 3249/4885
US-20160229858-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES THPO, PFKP, DCK MAPT 4854/4885KDM4E 973/4885SMN1; SMN2 3249/4885
US-20140038938-A1 Substituted dihydropyrazolones and their use GLS, ATP6V1B1, PFKP MAPT 4672/4885KDM4E 2151/4885SMN1; SMN2 3307/4885
US-20090269420-A1 SUBSTITUTED DIHYDROPYRAZOLONES AND THEIR USE GLS, ATP6V1B1, PFKP MAPT 4672/4885KDM4E 2151/4885SMN1; SMN2 3307/4885
US-20100305085-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES THPO, PFKP, HPGDS MAPT 4814/4885KDM4E 1366/4885SMN1; SMN2 3514/4885
US-20120121727-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES THPO, PFKP, DCK MAPT 4854/4885KDM4E 973/4885SMN1; SMN2 3249/4885
US-20120035151-A1 SUBSTITUTED DIHYDROPYRAZOLONES AND THEIR USE GLS, ATP6V1B1, PFKP MAPT 4672/4885KDM4E 2151/4885SMN1; SMN2 3307/4885
US-20150148381-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES THPO, PFKP, DCK MAPT 4854/4885KDM4E 973/4885SMN1; SMN2 3249/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.